CID 193974

Cilutazoline

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1=CC(=C(C=C1)C2CC2)OCC3=NCCN3
InChI
InChI=1S/C14H18N2O/c1-10-2-5-12(11-3-4-11)13(8-10)17-9-14-15-6-7-16-14/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,16)
InChIKey
JJFSSNDOOJCPLD-UHFFFAOYSA-N
Compound name
2-[(2-cyclopropyl-5-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

230.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 154.3
[M+Na]+ 253.131118 163.2
[M-H]- 229.134624 160.5
[M+NH4]+ 248.175723 165.9
[M+K]+ 269.105058 157.9
[M+H-H2O]+ 213.139160 145.9
[M+HCOO]- 275.140101 174.7
[M+CH3COO]- 289.155751 165.7
[M+Na-2H]- 251.116566 157.1
[M]+ 230.14135142 155.1
[M]- 230.14244858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.